Geometry & MOs

Info

ID:	358139
PubChem CID:	127295684
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	5.59
IP(EA), eV:	-8.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations